F399-0628 Screening compound: 3-(2-chlorobenzyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0628 Screening compound: 3-(2-chlorobenzyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0628 Screening compound: 3-(2-chlorobenzyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0628
3-(2-chlorobenzyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F399-0628

Molecular Formula

C25H18ClN3O3S2 (C25 H18 ClN3 O3 S2)

Compound Name

3-(2-chlorobenzyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-[(2-chlorophenyl)methyl]-4-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

COc(cc1)ccc1C(CSC(N(Cc(cccc1)c1Cl)C1=O)=Nc2c1sc1c2cccn1)=O

InChI

InChI=1S/C25H18ClN3O3S2/c1-32-17-10-8-15(9-11-17)20(30)14-33-25-28-21-18-6-4-12-27-23(18)34-22(21)24(31)29(25)13-16-5-2-3-7-19(16)26/h2-12H,13-14H2,1H3

InChI Key

GIWYXVAAYXEXQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.245

Distribution Coefficient, logD

5.245

Water Solubility, LogSw

-5.73

Polar Surface Area

54.462

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with F399-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0628?
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What is the minimum amount of F399-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0628
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F399-0628 available by request